3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium

Systemtic Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium Openeye Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium CAS Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium IUPAC Name: 3-[[4-(bromomethyl)phenyl]methyl]-6-methoxy-1,3-benzothiazol-3-ium Traditional Name: 3-[4-(bromomethyl)benzyl]-6-methoxy-1,3-benzothiazol-3-ium Formula: C16H15BrNOS+ MolecularWeight: 349.2654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)CBr

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=CS2)CC3=CC=C(C=C3)CBr

InChI

InChI=1S/C16H15BrNOS/c1-19-14-6-7-15-16(8-14)20-11-18(15)10-13-4-2-12(9-17)3-5-13/h2-8,11H,9-10H2,1H3/q+1